Benzene → HCID 73689277, compound
Reaction equation
[CH2:13]([P:14]([CH2:15][CH2:16][CH2:17][CH3:18])[CH2:19][CH2:20][CH2:21][CH3:22])[CH2:23][CH2:24][CH3:25].[CH2:26]([CH3:27])[O:28][C:29]([CH:30]([CH2:31][c:32]1[cH:33][cH:34][c:35]([OH:38])[cH:36][cH:37]1)[O:39][CH2:40][CH3:41])=[O:42].[N:43]([C:44]([N:45]1[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1)=[O:51])=[N:52][C:53]([N:54]1[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]1)=[O:60].[c:1]1([C:7]#[C:8][CH:9]=[CH:10][CH2:11][OH:12])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[c:1]1([C:7]#[C:8][CH:9]=[CH:10][CH2:11][O:12][c:35]2[cH:34][cH:33][c:32]([CH2:31][CH:30]([C:29]([O:28][CH2:26][CH3:27])=[O:42])[O:39][CH2:40][CH3:41])[cH:37][cH:36]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-2ceafc9cf1a9419683a1e045af9d7881
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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